C881-0726 Screening compound: N-(3,5-dimethylphenyl)-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

C881-0726 Screening compound: N-(3,5-dimethylphenyl)-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
C881-0726 Screening compound: N-(3,5-dimethylphenyl)-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0726
N-(3,5-dimethylphenyl)-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C881-0726

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

N-(3,5-dimethylphenyl)-2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

IUPAC name

N-(35-dimethylphenyl)-2-(5-methyl-4567-tetrahydro-2H-indazol-2-yl)acetamide

SMILES

CC1Cc2cn(CC(Nc3cc(C)cc(C)c3)=O)nc2CC1

InChI

InChI=1S/C18H23N3O/c1-12-4-5-17-15(7-12)10-21(20-17)11-18(22)19-16-8-13(2)6-14(3)9-16/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,19,22)/t12-/m1/s1

InChI Key

LJJCNGIEYCIRIR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD26966486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.805

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-3.80

Polar Surface Area

39.091

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

C881-0726 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C881-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0726?
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What is the minimum amount of C881-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0726
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C881-0726 available by request